! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   2.8902905793   0.6886317070   3.4094016253
F   -0.8898625061  -1.4302817146   2.0422583202
F   -5.6501390215   0.1498294789  -0.7658635485
F   -3.9011423630   0.0731684163  -2.0833090358
O   -1.4757454598   1.6950230314  -0.7356606121
N   -0.0527506289  -0.0645358880  -0.8725163500
N   -3.1761814802  -1.4725887206   1.8596661410
N   -4.1577562284  -0.9731643186   1.1057526786
C    0.1910015281  -1.4761400586  -0.7861817721
C   -0.8184603780  -2.4501060284  -1.3012585406
C    0.4512927013  -2.2311112389  -2.0551948737
C    1.0173879445   0.7327145275  -1.4386628679
C   -1.2002374755   0.5329298082  -0.4703259203
C    2.2248089785   0.8372188965  -0.5290675942
C    3.5024088229   1.0854408190  -1.0536940564
C   -2.1596245717  -0.2601777299   0.3213800166
C    3.7347950355   1.1916006315  -2.5478248794
C    2.0536132883   0.7264475947   0.8462141719
C   -3.5638521104  -0.2385881725   0.1949388512
C    4.5697697758   1.1889497489  -0.1660004510
C   -1.9860518151  -1.0690206542   1.4142947905
C    3.1373973104   0.8385288279   1.6991435117
C    4.8833385728   2.1221219802  -2.9253165472
C    3.9649874321  -0.2011542636  -3.1397962130
C    4.4073869806   1.0663552692   1.2051253712
C   -4.3397432417   0.4775909949  -0.8550906072
C   -3.4477220949  -2.3163732812   3.0017605565
H    0.7816647739  -1.7909043269   0.0674545226
H   -1.7265876875  -2.0594884172  -1.7416046290
H   -0.9523095638  -3.3684048287  -0.7443158674
H    1.2205104886  -2.9917115536  -2.0307695246
H    0.3792522041  -1.6927173143  -2.9920433274
H    0.6387206069   1.7303546551  -1.6612640955
H    1.2954950091   0.2914329536  -2.3947663586
H    2.8358050844   1.6119000307  -3.0061004939
H    1.0714536149   0.5472684871   1.2627512996
H    5.5681205982   1.3713315088  -0.5411725252
H    4.9018273211   2.2649793252  -4.0067508405
H    4.7791236401   3.1060310016  -2.4658009472
H    5.8577278170   1.7194943900  -2.6434911059
H    3.1483543383  -0.8887212721  -2.9115301904
H    4.0604111778  -0.1527861097  -4.2260805258
H    4.8813571673  -0.6429728263  -2.7430062694
H    5.2587088382   1.1495754927   1.8669452247
H   -4.2477657297   1.5612550516  -0.8033301095
H   -2.9972993139  -3.2983430831   2.8731307536
H   -3.0737872993  -1.8605575740   3.9161621114
H   -4.5240795529  -2.4296466361   3.0791593440
*